4-[(E)-4-pyridin-3-ylbut-2-enyl]morpholine
Formula:C13H18N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-4-pyridin-3-ylbut-2-enyl]morpholine is a drug-like molecule.
| MolName | 4-[(E)-4-pyridin-3-ylbut-2-enyl]morpholine |
| MolecularFormula | C13H18N2O |
| Smiles | C(/C=C/CN1CCOCC1)c1cnccc1 |
| InChI | InChI=1S/C13H18N2O/c1(4-13-5-3-6-14-12-13)2-7-15-8-10-16-11-9-15/h1-3,5-6,12H,4,7-11H2 |
| InChIK | LOWVKQJZHHRHON-UHFFFAOYSA-N |
| TotalMolweight | 218.299 |
| Molweight | 218.299 |
| MonoisotopicMass | 218.141913 |
| CLogP | 1.3373 |
| CLogS | -0.826 |
| H Acceptors | 3 |
| TotalSurfaceArea | 187.88 |
| Relative PSA | 0.13051 |
| PolarSurfaceArea | 25.36 |
| Druglikeness | -0.0055 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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